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canSAR645531
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NAMES
    SMILES
    CN1CN(c2ccccc2)C2(CCN(CCCSc3ccccc3NC(=O)/C=C/c3ccccc3)CC2)C1=O
    InChI
    InChI=1S/C32H36N4O2S/c1-34-25-36(27-13-6-3-7-14-27)32(31(34)38)19-22-35(23-20-32)21-10-24-39-29-16-9-8-15-28(29)33-30(37)18-17-26-11-4-2-5-12-26/h2-9,11-18H,10,19-25H2,1H3,(H,33,37)/b18-17+
    MOLECULAR FORMULA
    C32H36N4O2S
    CROSS REFERENCES
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    canSAR645531

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 540.26
    AlogP 5.59
    HBond donors 1
    HBond acceptors 6
    Atoms 75
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR645531.